4-butyl-6-chloranyl-7-[(3-methylphenyl)methoxy]chromen-2-one

Systemtic Name: 4-butyl-6-chloranyl-7-[(3-methylphenyl)methoxy]chromen-2-one Openeye Name: 4-butyl-6-chloro-7-(m-tolylmethoxy)chromen-2-one CAS Name: 4-butyl-6-chloro-7-[(3-methylphenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-[(3-methylphenyl)methoxy]chromen-2-one Traditional Name: 4-butyl-6-chloro-7-(3-methylbenzyl)oxy-coumarin Formula: C21H21ClO3 MolecularWeight: 356.84264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC=CC(=C3)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC=CC(=C3)C

InChI

InChI=1S/C21H21ClO3/c1-3-4-8-16-10-21(23)25-19-12-20(18(22)11-17(16)19)24-13-15-7-5-6-14(2)9-15/h5-7,9-12H,3-4,8,13H2,1-2H3